4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide

C19H23NO3S — CID 7928453

IUPAC4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1ccccc1SC
InChIInChI=1S/C19H23NO3S/c1-3-22-16-10-5-6-11-17(16)23-14-8-13-19(21)20-15-9-4-7-12-18(15)24-2/h4-7,9-12H,3,8,13-14H2,1-2H3,(H,20,21)
InChIKeyXOQLNFZLCRYQAS-UHFFFAOYSA-N
MW345.46 g/mol
LogP4.60
Rot. Bonds9

About 4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide

4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide (PubChem CID 7928453) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide
PubChem CID7928453
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1ccccc1SC
InChIInChI=1S/C19H23NO3S/c1-3-22-16-10-5-6-11-17(16)23-14-8-13-19(21)20-15-9-4-7-12-18(15)24-2/h4-7,9-12H,3,8,13-14H2,1-2H3,(H,20,21)
InChIKeyXOQLNFZLCRYQAS-UHFFFAOYSA-N
XLogP4.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
3-(2-methoxyphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 78768134
4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide
CID 84553851
N-(2,3-dichlorophenyl)-4-(2-ethoxyphenoxy)butanamide
CID 26364358
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide
CID 79199002
N-(5-acetamido-2-fluorophenyl)-4-(2-ethoxyphenoxy)butanamide
CID 55552164
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(2-ethoxyphenoxy)butanamide
CID 38324139
N-(2-ethoxyphenyl)octanamide
CID 4158866
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-naphthalen-1-yloxybutanamide
CID 55718491
3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 31891666
N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide
CID 120507806

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide (CID 7928453) is 4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide is CCOc1ccccc1OCCCC(=O)Nc1ccccc1SC.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide?
The InChIKey is XOQLNFZLCRYQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-3-22-16-10-5-6-11-17(16)23-14-8-13-19(21)20-15-9-4-7-12-18(15)24-2/h4-7,9-12H,3,8,13-14H2,1-2H3,(H,20,21).
What are the key properties of 4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide?
4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide has a molecular weight of 345.46 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide is sourced from PubChem (CID 7928453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).